Inhibitory Effect and Possible Mechanism of Action of Patchouli Alcohol against Influenza A (H2N2) Virus
Identifieur interne : 000C45 ( Main/Merge ); précédent : 000C44; suivant : 000C46Inhibitory Effect and Possible Mechanism of Action of Patchouli Alcohol against Influenza A (H2N2) Virus
Auteurs : Huaxing Wu [République populaire de Chine] ; Beili Li [République populaire de Chine] ; Xue Wang [République populaire de Chine] ; Mingyuan Jin [République populaire de Chine] ; Guonian Wang [République populaire de Chine]Source :
- Molecules [ 1420-3049 ] ; 2011.
Descripteurs français
- KwdFr :
- Administration par voie orale, Animaux, Antiviraux (pharmacologie), Antiviraux (usage thérapeutique), Chiens, Concentration inhibitrice 50, Infections à Orthomyxoviridae (anatomopathologie), Infections à Orthomyxoviridae (mortalité), Infections à Orthomyxoviridae (traitement médicamenteux), Infections à Orthomyxoviridae (virologie), Liaison aux protéines, Lignée cellulaire, Lignées consanguines de souris, Motifs et domaines d'intéraction protéique, Oséltamivir (pharmacologie), Réplication virale (), Sesquiterpènes (pharmacologie), Sesquiterpènes (usage thérapeutique), Sialidase (), Sialidase (antagonistes et inhibiteurs), Sialidase (métabolisme), Simulation de dynamique moléculaire, Sites de fixation, Souris, Sous-type H2N2 du virus de la grippe A (), Sous-type H2N2 du virus de la grippe A (croissance et développement), Structure secondaire des protéines, Survie cellulaire (), Taux de survie, Thermodynamique.
- MESH :
- anatomopathologie : Infections à Orthomyxoviridae.
- antagonistes et inhibiteurs : Sialidase.
- croissance et développement : Sous-type H2N2 du virus de la grippe A.
- mortalité : Infections à Orthomyxoviridae.
- métabolisme : Sialidase.
- pharmacologie : Antiviraux, Oséltamivir, Sesquiterpènes.
- traitement médicamenteux : Infections à Orthomyxoviridae.
- usage thérapeutique : Antiviraux, Sesquiterpènes.
- virologie : Infections à Orthomyxoviridae.
- Administration par voie orale, Animaux, Chiens, Concentration inhibitrice 50, Liaison aux protéines, Lignée cellulaire, Lignées consanguines de souris, Motifs et domaines d'intéraction protéique, Réplication virale, Sialidase, Simulation de dynamique moléculaire, Sites de fixation, Souris, Sous-type H2N2 du virus de la grippe A, Structure secondaire des protéines, Survie cellulaire, Taux de survie, Thermodynamique.
English descriptors
- KwdEn :
- Administration, Oral, Animals, Antiviral Agents (pharmacology), Antiviral Agents (therapeutic use), Binding Sites, Cell Line, Cell Survival (drug effects), Dogs, Influenza A Virus, H2N2 Subtype (drug effects), Influenza A Virus, H2N2 Subtype (growth & development), Inhibitory Concentration 50, Mice, Mice, Inbred Strains, Molecular Dynamics Simulation, Neuraminidase (antagonists & inhibitors), Neuraminidase (chemistry), Neuraminidase (metabolism), Orthomyxoviridae Infections (drug therapy), Orthomyxoviridae Infections (mortality), Orthomyxoviridae Infections (pathology), Orthomyxoviridae Infections (virology), Oseltamivir (pharmacology), Protein Binding, Protein Interaction Domains and Motifs, Protein Structure, Secondary, Sesquiterpenes (pharmacology), Sesquiterpenes (therapeutic use), Survival Rate, Thermodynamics, Virus Replication (drug effects).
- MESH :
- chemical , antagonists & inhibitors : Neuraminidase.
- chemical , chemistry : Neuraminidase.
- chemical , metabolism : Neuraminidase.
- chemical , pharmacology : Antiviral Agents, Oseltamivir, Sesquiterpenes.
- chemical , therapeutic use : Antiviral Agents, Sesquiterpenes.
- drug effects : Cell Survival, Influenza A Virus, H2N2 Subtype, Virus Replication.
- drug therapy : Orthomyxoviridae Infections.
- growth & development : Influenza A Virus, H2N2 Subtype.
- mortality : Orthomyxoviridae Infections.
- pathology : Orthomyxoviridae Infections.
- virology : Orthomyxoviridae Infections.
- Administration, Oral, Animals, Binding Sites, Cell Line, Dogs, Inhibitory Concentration 50, Mice, Mice, Inbred Strains, Molecular Dynamics Simulation, Protein Binding, Protein Interaction Domains and Motifs, Protein Structure, Secondary, Survival Rate, Thermodynamics.
Abstract
In the present study, the anti-influenza A (H2N2) virus activity of patchouli alcohol was studied
Url:
DOI: 10.3390/molecules16086489
PubMed: 21814161
PubMed Central: 6264369
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PMC:6264369Le document en format XML
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<term>Binding Sites</term>
<term>Cell Line</term>
<term>Cell Survival (drug effects)</term>
<term>Dogs</term>
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<term>Molecular Dynamics Simulation</term>
<term>Neuraminidase (antagonists & inhibitors)</term>
<term>Neuraminidase (chemistry)</term>
<term>Neuraminidase (metabolism)</term>
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<term>Orthomyxoviridae Infections (mortality)</term>
<term>Orthomyxoviridae Infections (pathology)</term>
<term>Orthomyxoviridae Infections (virology)</term>
<term>Oseltamivir (pharmacology)</term>
<term>Protein Binding</term>
<term>Protein Interaction Domains and Motifs</term>
<term>Protein Structure, Secondary</term>
<term>Sesquiterpenes (pharmacology)</term>
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<term>Infections à Orthomyxoviridae (anatomopathologie)</term>
<term>Infections à Orthomyxoviridae (mortalité)</term>
<term>Infections à Orthomyxoviridae (traitement médicamenteux)</term>
<term>Infections à Orthomyxoviridae (virologie)</term>
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<term>Animaux</term>
<term>Chiens</term>
<term>Concentration inhibitrice 50</term>
<term>Liaison aux protéines</term>
<term>Lignée cellulaire</term>
<term>Lignées consanguines de souris</term>
<term>Motifs et domaines d'intéraction protéique</term>
<term>Réplication virale</term>
<term>Sialidase</term>
<term>Simulation de dynamique moléculaire</term>
<term>Sites de fixation</term>
<term>Souris</term>
<term>Sous-type H2N2 du virus de la grippe A</term>
<term>Structure secondaire des protéines</term>
<term>Survie cellulaire</term>
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<front><div type="abstract" xml:lang="en"><p>In the present study, the anti-influenza A (H2N2) virus activity of patchouli alcohol was studied <italic>in vitro</italic>
, <italic>in vivo</italic>
and <italic>in silico</italic>
. The CC<sub>50</sub>
of patchouli alcohol was above 20 µM. Patchouli alcohol could inhibit influenza virus with an IC<sub>50</sub>
of 4.03 ± 0.23 µM. MTT assay showed that the inhibition by patchouli alcohol appears strongly after penetration of the virus into the cell. In the influenza mouse model, patchouli alcohol showed obvious protection against the viral infection at a dose of 5 mg/kg/day. Flexible docking and molecular dynamic simulations indicated that patchouli alcohol was bound to the neuraminidase protein of influenza virus, with an interaction energy of –40.38 kcal mol<sup>–1</sup>
. The invariant key active-site residues Asp151, Arg152, Glu119, Glu276 and Tyr406 played important roles during the binding process. Based on spatial and energetic criteria, patchouli alcohol interfered with the NA functions. Results presented here suggest that patchouli alcohol possesses anti-influenza A (H2N2) virus properties, and therefore is a potential source of anti-influenza agents for the pharmaceutical industry.</p>
</div>
</front>
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